Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11340402 | 1.00 | CES2 (0.38) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL30767689 | 0.77 | — | — | |
| SCHEMBL170362 | 0.77 | — | — | |
| SCHEMBL10464880 | 0.74 | — | — | |
| SCHEMBL10894864 | 0.71 | HPGD (0.40) | TSHRCYP3A4CYP2D6ALDH1A1PKM | |
| SCHEMBL10894861 | 0.71 | HPGD (0.40) | TSHRCYP3A4CYP2D6ALDH1A1PKM | |
| SCHEMBL11426273 | 0.70 | — | — | |
| SCHEMBL28845725 | 0.68 | CES2 (0.52) | CES2CES1KEAP1ALOX5TSHR | |
| SCHEMBL3892567 | 0.66 | — | — | |
| SCHEMBL1126267 | 0.66 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4256878-A | THIENYL COMPOUNDS, ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4230872-A | ANTITUMOR AGENTS, THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENE | HOFFMANN-LA ROCHE INC. (US) | 1980-10-28 | — | — | US | disclosed |
| US-4116975-A | 9-THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENES, ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4061656-A | ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1977-12-06 | — | — | US | disclosed |